N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide

C14H16ClF3N2O2 — CID 17448048

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1
InChIInChI=1S/C14H16ClF3N2O2/c1-9(20-4-6-22-7-5-20)13(21)19-12-8-10(14(16,17)18)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,19,21)
InChIKeySKSBAPPVWDXLOT-UHFFFAOYSA-N
MW336.74 g/mol
LogP3.02
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide (PubChem CID 17448048) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide
PubChem CID17448048
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1
InChIInChI=1S/C14H16ClF3N2O2/c1-9(20-4-6-22-7-5-20)13(21)19-12-8-10(14(16,17)18)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,19,21)
InChIKeySKSBAPPVWDXLOT-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide (CID 17448048) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide is CC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide?
The InChIKey is SKSBAPPVWDXLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c1-9(20-4-6-22-7-5-20)13(21)19-12-8-10(14(16,17)18)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,19,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide has a molecular weight of 336.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 17448048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).